Stretching Vibrational IR Active Spectra of Carbon Fullerenes

Abstract

Molecular vibration spectra are of great significance in the study of molecular structures and characters. Here, an analytical method of Lie algebraic approach is imported into the domain of micro-scaled molecular spectra. The vibrational modes of fullerenes C₅₀, C₇₀ and C₈₀ are calculated considering the C-C bond interactions. The algebraic Hamiltonian describing vibrational spectra of polyatomic molecules has been derived by using the dynamical U(2) Lie algebra. The calculations are performed within the framework of the vibron model with fewer numbers of algebraic parameters. The calculations show a reasonable agreement with previously published calculated and experimental results.

Keywords:

• Lie algebra
• vibrational spectra
• fullerenes
• infrared active mode